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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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215078 85084111 2 O6C19H21 A6B19C21 -477.94 3.92 -10.07 -0.74 0
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215079 85084112 1 FO5N10C34H43 AB5C10D34E43 -193.04 2.86 -8.17 -0.37 0
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215080 85084113 1 NO15C33H41 AB15C33D41 -646.46 6.54 -8.48 -0.13 0
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215081 85084115 1 Cl2S2N3O8H27C30 A2B2C3D8E27F30 -213.88 3.37 -8.46 -1.44 2
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215084 85084129 1 S2N3O10C32H45 A2B3C10D32E45 -409.76 11.1 -9.19 -0.64 0
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215085 85084131 1 SnO4N5C33H47 AB4C5D33E47 -96.35 6.06 -9.32 -0.81 0
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215086 85084133 1 IS2O4H33C34 AB2C4D33E34 -64.86 6.21 -8.73 -0.91 0
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215087 85084135 1 GeNC14H29 ABC14D29 -23.43 2.11 -8.57 1.51 0
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215088 85084143 1 SN7O8C33H43 AB7C8D33E43 -148.76 2.21 -8.66 -2.49 0
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215089 85084144 1 SN4O6C39H46 AB4C6D39E46 -132.52 23.88 -8.52 -2.15 1
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215090 85084145 1 SN4O6C39H47 AB4C6D39E47 -180.34 9.24 0.0 0.0 0
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215091 85084146 1 SiO8C40H62 AB8C40D62 -419.2 5.11 -8.59 0.38 0
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215092 85084147 1 Cl2O4N6H36C37 A2B4C6D36E37 -28.97 5.06 -8.89 -1.88 0
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215093 85084148 1 SN7O8C33H45 AB7C8D33E45 -264.77 9.33 -8.46 -0.6 0
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215094 85084149 1 ClNSBr2O6C27H38 ABCD2E6F27G38 -246.06 7.81 -9.08 -0.54 1
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215095 85084150 1 BrClNSO6C27H38 ABCDE6F27G38 -241.02 5.17 0.0 0.0 0
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215096 85084151 1 N4O9C38H44 A4B9C38D44 -237.51 8.11 -7.9 -2.11 0
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215097 85084152 1 BrN4O5C36H53 AB4C5D36E53 -160.5 7.18 -8.86 -0.8 0
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215098 85084153 1 N5O7H39C40 A5B7C39D40 -162.74 10.74 -8.76 -0.87 0
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215099 85084154 1 N5O8C38H47 A5B8C38D47 -316.23 9.93 -9.2 -0.34 0
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215100 85084155 1 N2O18C29H38 A2B18C29D38 -800.65 0.93 -10.2 -0.2 0
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215101 85084157 1 PN6O8C35H39 AB6C8D35E39 -257.16 8.42 -8.85 -0.46 0
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215102 85084158 2 N5O5C15H21 A5B5C15D21 -420.99 7.62 -9.21 -0.53 0
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215103 85084159 1 PN2O11C35H47 AB2C11D35E47 -494.34 7.99 -9.14 -0.18 0
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215104 85084160 1 SN2O9C38H42 AB2C9D38E42 -302.17 1.94 -8.64 -0.27 0